Information card for entry 1573331

Structure parameters

• Chemical name: Hexaaquadichloridoneodymium(III) chloride
• Formula: Cl3 H12 Nd O6
• Calculated formula: Cl3 H12 Nd O6
• SMILES: [OH2][Nd]([OH2])([OH2])([OH2])([OH2])([OH2])(Cl)Cl.[Cl-]
• a: 7.971 ± 0.0003 Å
• b: 6.546 ± 0.0002 Å
• c: 12.1246 ± 0.0005 Å
• α: 90°
• β: 127.324 ± 0.001°
• γ: 90°
• Cell volume: 503.09 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0077
• Residual factor for significantly intense reflections: 0.0073
• Weighted residual factors for significantly intense reflections: 0.0168
• Weighted residual factors for all reflections included in the refinement: 0.0169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No